Michel Ferrero

Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO

We present an approach that combines the local-density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane-wave method. Wannier-type functions for the correlated shell are constructed by projecting local orbitals onto a set of Bloch eigenstates located within a certain energy window. The screened Coulomb interaction and Hunds coupling are calculated from a first-principles constrained random-phase approximation scheme. We apply this

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

\text{LDA}+\text{DMFT}

Pseudogap opening and formation of Fermi arcs as an orbital-selective Mott transition in momentum space

implementation, in conjunction with a continuous-time quantum Monte Carlo algorithm, to the study of electronic correlations in LaFeAsO. Our findings support the physical picture of a metal with intermediate correlations. The average value of the mass renormalization of the

TRIQS: A Toolbox for Research on Interacting Quantum Systems

\text{Fe}\text{ }3d

How Bad Metals Turn Good: Spectroscopic Signatures of Resilient Quasiparticles

bands is about 1.6, in reasonable agreement with the picture inferred from photoemission experiments. The discrepancies between different

Momentum-space anisotropy and pseudogaps: A comparative cluster dynamical mean-field analysis of the doping-driven metal-insulator transition in the two-dimensional Hubbard model

\text{LDA}+\text{DMFT}

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems ☆

calculations (all technically correct) which have been reported in the literature are shown to have two causes: (i) the specific value of the interaction parameters used in these calculations and (ii) the degree of localization of the Wannier orbitals chosen to represent the

Orthogonal polynomial representation of imaginary-time Green's functions

\text{Fe}\text{ }3d

Dynamical behavior across the Mott transition of two bands with different bandwidths

states, to which many-body terms are applied. The latter is a fundamental issue in the application of many-body calculations, such as DMFT, in a realistic setting. We provide strong evidence that the DMFT approximation is more accurate and more straightforward to implement when well-localized orbitals are constructed from a large energy window encompassing

Impact of electronic correlations on the equation of state and transport in epsilon-Fe

\text{Fe-}3d